SCHEMBL6704646

SCHEMBL6704646

COc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OCCN4CCCC4)c(OC)cc23)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.66
ABL1 P00519 4/20 0.66
BCR P11274 3/20 0.66
WEE2 P0C1S8 2/20 0.60
WEE1 P30291 2/20 0.60
PKMYT1 Q99640 2/20 0.60
FYN P06241 3/20 0.60
MAP2K1 Q02750 2/20 0.59
EGFR P00533 2/20 0.59
ERBB2 P04626 2/20 0.59
LYN P07948 2/20 0.59
STK25 O00506 1/20 0.59
CIT O14578 1/20 0.59
RIOK3 O14730 1/20 0.59
MAP2K7 O14733 1/20 0.59
CHEK1 O14757 1/20 0.59
CASK O14936 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
MAP3K13 O43283 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6684408 0.89 SRC (0.76) SRCABL1BCRFYNMAP2K1
SCHEMBL6689932 0.87 SRC (0.61) SRCABL1BCREGFRERBB2
SCHEMBL6688317 0.87 SRC (0.61) SRCABL1BCREGFRERBB2
SCHEMBL6691994 0.81 SRC (0.64) SRCABL1BCRWEE2WEE1
SCHEMBL6832341 0.79 SRC (0.72) SRCABL1BCRFYNMAP2K1
SCHEMBL677073 0.78 SRC (0.92) SRCABL1BCRWEE2WEE1
SCHEMBL30453317 0.78 SRC (0.92) SRCABL1BCRWEE2WEE1
SCHEMBL6832310 0.78 SRC (0.74) SRCABL1BCRFYNMAP2K1
SCHEMBL25418454 0.78 WEE2 (0.80) SRCABL1BCRWEE2WEE1
SCHEMBL676484 0.78 SRC (0.92) SRCABL1BCRWEE2WEE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069250-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO disclosed